6-bromo-2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine

C12H19BrN4O — CID 116796670

IUPAC6-bromo-2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCOCCN(c1nc(N)cc(Br)n1)C(C)C1CC1
InChIInChI=1S/C12H19BrN4O/c1-8(9-3-4-9)17(5-6-18-2)12-15-10(13)7-11(14)16-12/h7-9H,3-6H2,1-2H3,(H2,14,15,16)
InChIKeyNKNWTAUSHRGCOU-UHFFFAOYSA-N
MW315.22 g/mol
LogP2.07
Rot. Bonds6

About 6-bromo-2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine

6-bromo-2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine (PubChem CID 116796670) has the molecular formula C12H19BrN4O and a molecular weight of 315.22 g/mol. Its IUPAC name is 6-bromo-2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
PubChem CID116796670
Molecular FormulaC12H19BrN4O
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC Name6-bromo-2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCOCCN(c1nc(N)cc(Br)n1)C(C)C1CC1
InChIInChI=1S/C12H19BrN4O/c1-8(9-3-4-9)17(5-6-18-2)12-15-10(13)7-11(14)16-12/h7-9H,3-6H2,1-2H3,(H2,14,15,16)
InChIKeyNKNWTAUSHRGCOU-UHFFFAOYSA-N
XLogP2.07
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(1-cyclopropylethyl)-6-ethoxy-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80820940
4-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 107274835
6-bromo-2-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 103340783
2-N-(1-cyclopropylethyl)-6-methoxy-2-N-(2-methoxyethyl)pyridine-2,5-diamine
CID 55004688
1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-4-methylbenzene-1,2-diamine
CID 55004687
4-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarbothioamide
CID 114903023
5-chloro-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80821177
6-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyrazin-8-amine
CID 79958355
5-bromo-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine
CID 80820388
4-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 64545176
6-bromo-2-N-cyclobutyl-2-N-methylpyrimidine-2,4-diamine
CID 116797489
5-amino-6-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carbonitrile
CID 103468029

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine (CID 116796670) is 6-bromo-2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine is COCCN(c1nc(N)cc(Br)n1)C(C)C1CC1.
What is the InChIKey of 6-bromo-2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The InChIKey is NKNWTAUSHRGCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-8(9-3-4-9)17(5-6-18-2)12-15-10(13)7-11(14)16-12/h7-9H,3-6H2,1-2H3,(H2,14,15,16).
What are the key properties of 6-bromo-2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
6-bromo-2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine has a molecular weight of 315.22 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116796670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).